⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9865219 | 0.87 | — | — | |
| SCHEMBL9876796 | 0.84 | — | — | |
| SCHEMBL9865703 | 0.82 | ALDH1A1 (0.32) | — | |
| SCHEMBL9826210 | 0.66 | KDR (0.33) | — | |
| SCHEMBL10532548 | 0.65 | PNMT (0.32) | — | |
| SCHEMBL9865863 | 0.64 | PKM (0.36) | — | |
| SCHEMBL9864782 | 0.63 | PSIP1 (0.31) | — | |
| SCHEMBL9864771 | 0.62 | SRC (0.36) | — | |
| SCHEMBL1998846 | 0.62 | PNMT (0.33) | — | |
| SCHEMBL9865394 | 0.61 | HSD17B10 (0.33) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4994485-A | Seed and soil fungi, bacteria | DUPHAR INTERNATIONAL RESEARCH B.V. (NL) | 1991-02-19 | — | — | US | disclosed |
| EP-0234622-B1 | NEW THIO COMPOUNDS HAVING FUNGICIDAL ACTIVITY | DUPHAR INTERNATIONAL RESEARCH B.V (NL) | 1990-06-27 | — | — | EP | disclosed |
| EP-0234622-A1 | New thio compounds having fungicidal activity | DUPHAR INTERNATIONAL RESEARCH B.V (NL) | 1987-09-02 | — | — | EP | disclosed |